CAS 3471-31-6|5-Methoxyindole-3-acetic acid
Introduction：Basic information about CAS 3471-31-6|5-Methoxyindole-3-acetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Methoxyindole-3-acetic acid | ||
|---|---|---|---|
| CAS Number | 3471-31-6 | Molecular Weight | 205.21000 |
| Density | / | Boiling Point | 445.9ºC at 760 mmHg |
| Molecular Formula | C11H11NO3 | Melting Point | 145-148 °C (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | 223.5ºC |
Names
| Name | 2-(5-methoxy-1H-indol-3-yl)acetic acid |
|---|---|
| Synonym | More Synonyms |
5-Methoxyindole-3-acetic acid BiologicalActivity
| Description | 5-Methoxyindole-3-acetic acid, isolated from pineal tissue, is a metabolite of Melatonin[1]. |
|---|---|
| Related Catalog | Research Areas >>Others |
| Target | Human Endogenous Metabolite |
| References | [1]. KVEDER S, et al. The metabolism of melatonin (N-acetyl-5-methoxytryptamine) and 5-methoxytryptamine. J Biol Chem. 1961 Dec;236:3214-20. |
Chemical & Physical Properties
| Boiling Point | 445.9ºC at 760 mmHg |
|---|---|
| Melting Point | 145-148 °C (dec.)(lit.) |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.21000 |
| Flash Point | 223.5ºC |
| Exact Mass | 205.07400 |
| PSA | 62.32000 |
| LogP | 1.80360 |
| InChIKey | COCNDHOPIHDTHK-UHFFFAOYSA-N |
| SMILES | COc1ccc2[nH]cc(CC(=O)O)c2c1 |
| Storage condition | 2-8°C |
| Water Solubility | insoluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 98 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement
- REFERENCE :
- JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 1,515,1976 ** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4 gm/kg/13W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Brain and Coverings - tumors
- REFERENCE :
- BEBMAE Byulleten' Eksperimental'noi Biologii i Meditsiny. Bulletin of Experimental Biology and Medicine. For English translation, see BEXBAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 101,605,1986
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg female 10-21 day(s) after conception
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Brain and Coverings - tumors Reproductive - Tumorigenic effects - transplacental tumorigenesis
- REFERENCE :
- BEBMAE Byulleten' Eksperimental'noi Biologii i Meditsiny. Bulletin of Experimental Biology and Medicine. For English translation, see BEXBAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 101,605,1986
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | NL3660500 |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles26
More Articles| Indoleamines and 5-methoxyindoles in trout pineal organ in vivo: daily changes and influence of photoperiod. Gen. Comp. Endocrinol. 144(1) , 67-77, (2005) This study describes the diel rhythms in several indoleamines, melatonin, and related 5-methoxyindoles in the pineal organ of rainbow trout in vivo. In addition, the effect of different photoperiod co... | |
| Total pineal endocrine substitution therapy (TPEST) as a new neuroendocrine palliative treatment of untreatable metastatic solid tumor patients: a phase II study. Neuro Endocrinol. Lett. 24(3-4) , 259-62, (2003) It is known since many years that the pineal gland plays an anticancer role, and melatonin (MLT), the most investigated pineal hormone, has been proven to exert antitumor activity. However, MLT would ... | |
| Secretion of the methoxyindoles melatonin, 5-methoxytryptophol, 5-methoxyindoleacetic acid, and 5-methoxytryptamine from trout pineal organs in superfusion culture: effects of light intensity. Gen. Comp. Endocrinol. 101(2) , 165-72, (1996) The teleost pineal organ is a photoreceptive endocrine organ that synthesizes the hormone melatonin through specialized intrapineal photoreceptor cells in a light-dependent manner. The present study i... |
Synonyms
| 5-Methoxy-3-indoleacetic acid |
| 5-methoxy-1H-indole-3-acetic acid |
| 5-Methoxyindole-3-aceticacid |
| 2-(5-Methoxy-3-indolyl)acetic acid |
| 5-Methoxyindoleacetate |
| 5-Methoxyindoleacetic acid |
| MFCD00005638 |
| EINECS 222-438-3 |
| 1H-Indole-3-acetic acid, 5-methoxy-, ion(1-) |
| 5-Methoxyindol-3-ylacetate |
| INDOLE-3-ACETIC ACID,5-METHOXY |
| (5-Methoxy-1H-indol-3-yl)acetate |
| 5-Methoxyindol-3-ylacetic acid |
| 5-Methoxyindole-3-acetate |
| 5-Methoxyindole-3-acetic acid |
| 2-(5-Methoxy-1H-indol-3-yl)acetic acid |
| Methoxyindoleacetic acid |
